N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[2-[2-[2-[2-[2-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide

C56H80N6O10 — CID 56837419

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[2-[2-[2-[2-[2-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1
InChIInChI=1S/C56H80N6O10/c1-65-53-13-5-3-11-51(53)61-31-27-59(28-32-61)25-9-7-23-57-55(63)49-19-15-47(16-20-49)45-71-43-41-69-39-37-67-35-36-68-38-40-70-42-44-72-46-48-17-21-50(22-18-48)56(64)58-24-8-10-26-60-29-33-62(34-30-60)52-12-4-6-14-54(52)66-2/h3-6,11-22H,7-10,23-46H2,1-2H3,(H,57,63)(H,58,64)
InChIKeyOTFGIKBDQRIECS-UHFFFAOYSA-N
MW997.29 g/mol
LogP6.17
Rot. Bonds35

About N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[2-[2-[2-[2-[2-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[2-[2-[2-[2-[2-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide (PubChem CID 56837419) has the molecular formula C56H80N6O10 and a molecular weight of 997.29 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[2-[2-[2-[2-[2-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[2-[2-[2-[2-[2-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide
PubChem CID56837419
Molecular FormulaC56H80N6O10
Molecular Weight997.29 g/mol
Exact Mass996.59
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[2-[2-[2-[2-[2-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1
InChIInChI=1S/C56H80N6O10/c1-65-53-13-5-3-11-51(53)61-31-27-59(28-32-61)25-9-7-23-57-55(63)49-19-15-47(16-20-49)45-71-43-41-69-39-37-67-35-36-68-38-40-70-42-44-72-46-48-17-21-50(22-18-48)56(64)58-24-8-10-26-60-29-33-62(34-30-60)52-12-4-6-14-54(52)66-2/h3-6,11-22H,7-10,23-46H2,1-2H3,(H,57,63)(H,58,64)
InChIKeyOTFGIKBDQRIECS-UHFFFAOYSA-N
XLogP6.17
TPSA145.00 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds35
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500997.29
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[2-[2-[2-[2-[2-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[2-[2-[2-[2-[2-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[2-[2-[2-[2-[2-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide (CID 56837419) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[2-[2-[2-[2-[2-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[2-[2-[2-[2-[2-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[2-[2-[2-[2-[2-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide is COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[2-[2-[2-[2-[2-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide?
The InChIKey is OTFGIKBDQRIECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H80N6O10/c1-65-53-13-5-3-11-51(53)61-31-27-59(28-32-61)25-9-7-23-57-55(63)49-19-15-47(16-20-49)45-71-43-41-69-39-37-67-35-36-68-38-40-70-42-44-72-46-48-17-21-50(22-18-48)56(64)58-24-8-10-26-60-29-33-62(34-30-60)52-12-4-6-14-54(52)66-2/h3-6,11-22H,7-10,23-46H2,1-2H3,(H,57,63)(H,58,64).
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[2-[2-[2-[2-[2-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[2-[2-[2-[2-[2-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide has a molecular weight of 997.29 g/mol, XLogP of 6.17, 35 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[2-[2-[2-[2-[2-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide is sourced from PubChem (CID 56837419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).